Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies. - Viviana Consonni; Roberto Todeschini; Manuela Pavan; Paola Gramatica (J. Chem. Inf. Comput. Sci., 2002)

Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus Modeling. - Paola Gramatica; Pamela Pilutti; Ester Papa (J. Chem. Inf. Model., 2004)

Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). - Ester Papa; Fulvio Villa; Paola Gramatica (J. Chem. Inf. Model., 2005)

QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling. - Jiazhong Li; Beilei Lei; Huanxiang Liu; Shuyan Li; Xiaojun Yao; Mancang Liu; Paola Gramatica (J. Comput. Chem., 2008)

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis. - Hao Zhu 012; Alexander Tropsha; Denis Fourches; Alexandre Varnek; Ester Papa; Paola Gramatica; Tomas Öberg; Phuong Dao; Artem Cherkasov; Igor V. Tetko (J. Chem. Inf. Model., 2008)

A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin-concentrating hormone receptor 1 antagonists. - Jiazhong Li; Shuyan Li; Beilei Lei; Huanxiang Liu; Xiaojun Yao; Mancang Liu; Paola Gramatica (J. Comput. Chem., 2010)

Classification and Virtual Screening of Androgen Receptor Antagonists. - Jiazhong Li; Paola Gramatica (J. Chem. Inf. Model., 2010)

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. - Iurii Sushko; Sergii Novotarskyi; Robert Körner; Anil Kumar Pandey; Artem Cherkasov; Jiazhong Li; Paola Gramatica; Katja Hansen; Timon Schroeter; Klaus-Robert Müller; Lili Xi; Huanxiang Liu; et al. (J. Chem. Inf. Model., 2010)

QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles. - Partha Pratim Roy 002; Simona Kovarich; Paola Gramatica (J. Comput. Chem., 2011)

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient. - Nicola Chirico; Paola Gramatica (J. Chem. Inf. Model., 2011)

Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection. - Nicola Chirico; Paola Gramatica (J. Chem. Inf. Model., 2012)

QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. - Paola Gramatica; Nicola Chirico; Ester Papa; Stefano Cassani; Simona Kovarich (J. Comput. Chem., 2013)

Reply to the comment of S. Rayne on "QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (Benzo-)triazoles". - Paola Gramatica; Simona Kovarich; Partha Pratim Roy 002 (J. Comput. Chem., 2013)

QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. - Paola Gramatica; Stefano Cassani; Nicola Chirico (J. Comput. Chem., 2014)

A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology. - Paola Gramatica; Alessandro Sangion (J. Chem. Inf. Model., 2016)

QSARINS-Chem standalone version: A new platform-independent software to profile chemicals for physico-chemical properties, fate, and toxicity. - Nicola Chirico; Alessandro Sangion; Paola Gramatica; Linda Bertato; Ilaria Casartelli; Ester Papa (J. Comput. Chem., 2021)